Chem
J-GLOBAL ID：200907086688996750   Nikkaji number：J2.582.485G

Bis(11-pyridinioundecanoic acid)stilbene-4,4′-diyl ester

ビス(11-ピリジニオウンデカン酸)スチルベン-4,4′-ジイル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H60[N+]2O4
Molecular formula furigana： C46-H60-N2-O4
Molecular weight： 704.995
InChI： InChI=1S/C46H60N2O4/c49-45(23-15-9-5-1-3-7-11-17-35-47-37-19-13-20-38-47)51-43-31-27-41(28-32-43)25-26-42-29-33-44(34-30-42)52-46(50)24-16-10-6-2-4-8-12-18-36-48-39-21-14-22-40-48/h13-14,19-22,25-34,37-40H,1-12,15-18,23-24,35-36H2/q+2
InChI key： RTIQUBFSVNRLCQ-UHFFFAOYSA-N
SMILES： O=C(CCCCCCCCCC[n+]1ccccc1)Oc1ccc(C=Cc2ccc(OC(=O)CCCCCCCCCC[n+]3ccccc3)cc2)cc1
Systematic name  (3)：
  • ビス(11-ピリジニオウンデカン酸)スチルベン-4,4′-ジイル
  • 1-(11-オキソ-11-{4-[2-(4-{[11-(ピリジン-1-イウム-1-イル)ウンデカノイル]オキシ}フェニル)エテニル]フェノキシ}ウンデシル)ピリジン-1-イウム
  • 1-(11-oxo-11-{4-[2-(4-{[11-(pyridin-1-ium-1-yl)undecanoyl]oxy}phenyl)ethenyl]phenoxy}undecyl)pyridin-1-ium
Other name (1)：
  • Bis(11-pyridinioundecanoic acid)stilbene-4,4′-diyl ester
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